Molecule

ID:33545

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₂
Molecular Mass
199.28994
Exact Mass
199.15722892
Charge
0
InChI
InChI=1S/C11H21NO2/c1-2-14-11(13)10-12-8-6-4-3-5-7-9-12/h2-10H2,1H3
InChIKey
VVTSPTLYTRBYBV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1CCCCCCC1
Isomeric Smiles
N1(CC(=O)OCC)CCCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.28794366
LogD (pH = 7.4)
1.4223303
Log P
1.9103582
Molar Refractivity
56.9344
Polarizability
22.55125
Polar Surface Area
29.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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